Chemical Properties of Monochloromethyl isopentanoate (CAS 82504-50-5)

InChI

InChI=1S/C6H11ClO2/c1-5(2)3-6(8)9-4-7/h5H,3-4H2,1-2H3

InChI Key

GDUQVLASZBFABN-UHFFFAOYSA-N

Formula

C6H11ClO2

SMILES

CC(C)CC(=O)OCCl

Molecular Weight¹

150.60

CAS

82504-50-5

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[162.19; 345.79]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.40520e+01
Coefficient B			5.31740e-01
Coefficient C			-2.31600e-04
Coefficient D			1.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.19	J/mol×K	273.00	Calculated Property
Cp,gas	193.70	J/mol×K	353.78	Calculated Property
Cp,gas	222.34	J/mol×K	434.56	Calculated Property
Cp,gas	248.16	J/mol×K	515.33	Calculated Property
Cp,gas	271.19	J/mol×K	596.11	Calculated Property
Cp,gas	291.46	J/mol×K	676.89	Calculated Property
Cp,gas	309.03	J/mol×K	757.67	Calculated Property
Cp,gas	323.91	J/mol×K	838.44	Calculated Property
Cp,gas	336.15	J/mol×K	919.22	Calculated Property
Cp,gas	345.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086734; 0.0002737]	Pa×s	[214.63; 431.98]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.16163e+01
Coefficient B			1.47426e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			214.63
Temperature range, max.			431.98
η	0.0086734	Pa×s	214.63	Calculated Property
η	0.0043300	Pa×s	238.78	Calculated Property
η	0.0024559	Pa×s	262.93	Calculated Property
η	0.0015323	Pa×s	287.08	Calculated Property
η	0.0010287	Pa×s	311.23	Calculated Property
η	0.0007314	Pa×s	335.38	Calculated Property
η	0.0005444	Pa×s	359.53	Calculated Property
η	0.0004206	Pa×s	383.68	Calculated Property
η	0.0003350	Pa×s	407.83	Calculated Property
η	0.0002737	Pa×s	431.98	Calculated Property

Similar Compounds

Find more compounds similar to Monochloromethyl isopentanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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